Geometry & MOs

Info

ID:	381401
PubChem CID:	134972121
Reduced:	OSC13H20 (1)
Stoich.:	ABC13D20 (1)
Weight, g/mol:	308.125988
ΔH_f, kcal/mol:	-53.24
Dipole, Da:	1.1
IP(EA), eV:	-8.76(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,5R)-5-acetyloxy-4-hydroxy-2,6-dimethyloxan-3-yl] benzoate

Drug info:

PubChemData

Smile

CC(=C)C1(C[C@@H]2[C@H]1SC(CC2=O)(C)C)C

DOS

IR

Vibrations